Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5tir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 SER 1.A O no hydrogen 3.427 N/A PHE 5.A N ASN 42.A OD1 no hydrogen 2.939 N/A TYR 12.A OH TRP 81.A O no hydrogen 2.899 N/A ALA 16.A N ALA 13.A O no hydrogen 3.017 N/A GLU 18.A N ASP 15.A O no hydrogen 3.256 N/A SER 20.A OG ASN 182.A O no hydrogen 2.748 N/A ILE 21.A N LEU 17.A O no hydrogen 2.999 N/A ALA 23.A N GLU 18.A OE1 no hydrogen 2.853 N/A ILE 25.A N SER 22.A OG no hydrogen 3.236 N/A VAL 26.A N SER 22.A O no hydrogen 3.011 N/A GLU 27.A N ALA 23.A O no hydrogen 2.987 N/A LEU 28.A N GLN 24.A O no hydrogen 2.999 N/A HIS 29.A N ILE 25.A O no hydrogen 2.741 N/A HIS 29.A NE2 HIS 77.A NE2 no hydrogen 2.999 N/A HIS 30.A N VAL 26.A O no hydrogen 2.962 N/A SER 31.A N GLU 27.A O no hydrogen 2.895 N/A SER 31.A OG GLU 27.A O no hydrogen 2.648 N/A LYS 32.A N LEU 28.A O no hydrogen 2.940 N/A LYS 32.A NZ SER 31.A OG no hydrogen 3.176 N/A HIS 33.A N LEU 28.A O no hydrogen 3.017 N/A HIS 34.A N HIS 29.A O no hydrogen 2.892 N/A HIS 34.A NE2 HIS 74.A ND1 no hydrogen 2.927 N/A GLN 35.A N HIS 30.A O no hydrogen 3.346 N/A GLN 35.A NE2 THR 39.A OG1 no hydrogen 3.073 N/A THR 36.A N LYS 32.A O no hydrogen 2.999 N/A THR 36.A OG1 LYS 32.A O no hydrogen 2.883 N/A TYR 37.A N HIS 33.A O no hydrogen 3.202 N/A VAL 38.A N HIS 34.A O no hydrogen 3.096 N/A THR 39.A N GLN 35.A O no hydrogen 2.857 N/A THR 39.A OG1 GLN 35.A O no hydrogen 3.349 N/A ASN 40.A N THR 36.A O no hydrogen 2.974 N/A LEU 41.A N TYR 37.A O no hydrogen 2.833 N/A ASN 42.A N VAL 38.A O no hydrogen 3.039 N/A ASN 42.A ND2 PHE 5.A O no hydrogen 2.874 N/A ASN 43.A N THR 39.A O no hydrogen 3.063 N/A ALA 44.A N ASN 40.A O no hydrogen 3.017 N/A LEU 45.A N LEU 41.A O no hydrogen 2.917 N/A LYS 46.A N ASN 42.A O no hydrogen 3.146 N/A LYS 46.A NZ VAL 2.A O no hydrogen 2.639 N/A THR 47.A N ASN 43.A O no hydrogen 3.169 N/A THR 47.A OG1 ASN 43.A O no hydrogen 3.083 N/A TYR 48.A N ALA 44.A O no hydrogen 2.850 N/A TYR 48.A OH GLN 60.A OE1 no hydrogen 2.640 N/A SER 49.A N LEU 45.A O no hydrogen 2.960 N/A SER 49.A OG LYS 46.A O no hydrogen 2.603 N/A THR 50.A N LYS 46.A O no hydrogen 3.442 N/A ALA 51.A N THR 47.A O no hydrogen 3.235 N/A LEU 52.A N TYR 48.A O no hydrogen 2.712 N/A ALA 53.A N SER 49.A O no hydrogen 3.081 N/A ALA 54.A N THR 50.A O no hydrogen 3.119 N/A ASN 55.A N LEU 52.A O no hydrogen 3.111 N/A ASP 56.A N ALA 51.A O no hydrogen 2.912 N/A SER 59.A N ASP 56.A OD1 no hydrogen 3.162 N/A SER 59.A OG ASP 56.A OD1 no hydrogen 3.320 N/A SER 59.A OG ASP 56.A OD2 no hydrogen 2.625 N/A GLN 60.A N ASP 56.A O no hydrogen 3.149 N/A GLN 60.A NE2 ALA 51.A O no hydrogen 3.422 N/A GLN 60.A NE2 ASP 56.A O no hydrogen 3.482 N/A ILE 61.A N VAL 57.A O no hydrogen 2.907 N/A ALA 62.A N PRO 58.A O no hydrogen 2.957 N/A LEU 63.A N SER 59.A O no hydrogen 3.025 N/A LEU 63.A N GLN 60.A O no hydrogen 3.141 N/A GLN 64.A N ILE 61.A O no hydrogen 3.183 N/A ILE 67.A N LEU 63.A O no hydrogen 3.182 N/A LYS 68.A N GLN 64.A O no hydrogen 2.795 N/A PHE 69.A N ALA 65.A O no hydrogen 2.919 N/A ASN 70.A N ALA 66.A O no hydrogen 2.993 N/A ASN 70.A ND2 ALA 66.A O no hydrogen 2.900 N/A GLY 71.A N ILE 67.A O no hydrogen 2.746 N/A GLY 72.A N LYS 68.A O no hydrogen 2.813 N/A GLY 73.A N PHE 69.A O no hydrogen 2.840 N/A HIS 74.A N ASN 70.A O no hydrogen 2.956 N/A HIS 74.A ND1 HIS 34.A NE2 no hydrogen 2.927 N/A ILE 75.A N GLY 71.A O no hydrogen 2.929 N/A ASN 76.A N GLY 72.A O no hydrogen 2.792 N/A ASN 76.A ND2 GLN 148.A OE1 no hydrogen 3.488 N/A ASN 76.A ND2 ASP 149.A O no hydrogen 3.338 N/A HIS 77.A N GLY 73.A O no hydrogen 3.029 N/A HIS 77.A ND1 GLY 73.A O no hydrogen 2.731 N/A HIS 77.A NE2 HIS 29.A NE2 no hydrogen 2.999 N/A SER 78.A N HIS 74.A O no hydrogen 2.948 N/A SER 78.A OG HIS 74.A O no hydrogen 2.649 N/A LEU 79.A N ILE 75.A O no hydrogen 3.030 N/A PHE 80.A N ASN 76.A O no hydrogen 2.916 N/A TRP 81.A N HIS 77.A O no hydrogen 2.992 N/A TRP 81.A NE1 HIS 34.A ND1 no hydrogen 2.967 N/A GLU 82.A N SER 78.A O no hydrogen 3.470 N/A ASN 83.A N LEU 79.A O no hydrogen 2.961 N/A ASN 83.A N PHE 80.A O no hydrogen 2.953 N/A ASN 83.A ND2 GLY 160.A O no hydrogen 3.141 N/A LEU 84.A N TRP 81.A O no hydrogen 3.289 N/A CYS 85.A N VAL 186.A O no hydrogen 2.894 N/A CYS 85.A SG PRO 86.A O no hydrogen 3.741 N/A CYS 85.A SG ILE 187.A O no hydrogen 4.047 N/A SER 89.A N PRO 86.A O no hydrogen 3.059 N/A ASP 91.A N SER 89.A OG no hydrogen 3.105 N/A ALA 92.A N SER 89.A O no hydrogen 3.006 N/A ASP 93.A N PRO 90.A O no hydrogen 3.100 N/A ALA 95.A N ASP 93.A OD1 no hydrogen 2.747 N/A SER 96.A N ASP 93.A O no hydrogen 2.811 N/A SER 96.A OG PRO 90.A O no hydrogen 2.754 N/A SER 96.A OG ASP 93.A O no hydrogen 3.036 N/A ALA 97.A N PRO 94.A O no hydrogen 2.883 N/A GLU 99.A N GLU 193.A OE2 no hydrogen 2.934 N/A LEU 100.A N GLU 193.A OE1 no hydrogen 2.830 N/A THR 101.A N ALA 97.A O no hydrogen 2.876 N/A THR 101.A OG1 ALA 97.A O no hydrogen 2.796 N/A THR 101.A OG1 PRO 98.A O no hydrogen 3.327 N/A ALA 102.A N PRO 98.A O no hydrogen 3.094 N/A GLU 103.A N GLU 99.A O no hydrogen 3.208 N/A ILE 104.A N LEU 100.A O no hydrogen 2.847 N/A ALA 105.A N THR 101.A O no hydrogen 2.915 N/A LYS 106.A N ALA 102.A O no hydrogen 2.975 N/A THR 107.A N GLU 103.A O no hydrogen 2.977 N/A THR 107.A N ILE 104.A O no hydrogen 3.080 N/A THR 107.A OG1 GLU 103.A O no hydrogen 2.738 N/A TRP 108.A N ILE 104.A O no hydrogen 2.819 N/A GLY 109.A N ALA 105.A O no hydrogen 2.799 N/A LYS 113.A N SER 110.A OG no hydrogen 3.005 N/A PHE 114.A N SER 110.A O no hydrogen 3.046 N/A LYS 115.A N LEU 111.A O no hydrogen 2.908 N/A GLU 116.A N ASP 112.A O no hydrogen 3.122 N/A ALA 117.A N LYS 113.A O no hydrogen 3.020 N/A MET 118.A N PHE 114.A O no hydrogen 2.780 N/A GLY 119.A N LYS 115.A O no hydrogen 2.848 N/A LYS 120.A N GLU 116.A O no hydrogen 3.022 N/A ALA 121.A N ALA 117.A O no hydrogen 3.106 N/A LEU 122.A N MET 118.A O no hydrogen 2.890 N/A LEU 123.A N GLY 119.A O no hydrogen 2.860 N/A GLY 124.A N ALA 121.A O no hydrogen 3.153 N/A ILE 125.A N LEU 122.A O no hydrogen 3.308 N/A TRP 130.A N THR 145.A O no hydrogen 2.885 N/A TRP 130.A NE1 GLN 148.A OE1 no hydrogen 2.912 N/A GLY 131.A N ILE 161.A O no hydrogen 3.029 N/A TRP 132.A N VAL 143.A O no hydrogen 2.764 N/A TRP 132.A NE1 THR 145.A OG1 no hydrogen 2.965 N/A LEU 133.A N PHE 159.A O no hydrogen 2.962 N/A VAL 134.A N ARG 141.A O no hydrogen 2.842 N/A LYS 135.A N VAL 156.A O no hydrogen 2.838 N/A LYS 135.A NZ PHE 196.A O no hydrogen 2.685 N/A LYS 135.A NZ GLY 198.A O no hydrogen 2.712 N/A GLU 136.A N GLY 139.A O no hydrogen 2.731 N/A GLY 139.A N GLU 136.A O no hydrogen 3.076 N/A ARG 141.A N VAL 134.A O no hydrogen 2.903 N/A VAL 143.A N TRP 132.A O no hydrogen 2.982 N/A THR 145.A N TRP 130.A O no hydrogen 2.930 N/A THR 145.A OG1 ASP 149.A O no hydrogen 3.122 N/A LYS 146.A NZ ASP 149.A OD2 no hydrogen 2.601 N/A ASP 147.A N SER 128.A O no hydrogen 2.846 N/A GLN 148.A NE2 TYR 37.A OH no hydrogen 2.968 N/A ASP 149.A N LYS 146.A O no hydrogen 2.888 N/A GLU 155.A N GLU 155.A OE2 no hydrogen 2.756 N/A VAL 156.A N LYS 135.A O no hydrogen 2.873 N/A VAL 158.A N LEU 133.A O no hydrogen 2.818 N/A PHE 159.A N LEU 133.A O no hydrogen 3.319 N/A GLY 160.A N ASN 83.A OD1 no hydrogen 3.089 N/A ILE 161.A N GLY 131.A O no hydrogen 2.926 N/A MET 163.A N GLY 129.A O no hydrogen 2.851 N/A TRP 164.A N ASP 162.A OD1 no hydrogen 3.066 N/A TRP 164.A NE1 ASP 147.A O no hydrogen 2.865 N/A ALA 167.A N TRP 164.A O no hydrogen 2.873 N/A TYR 168.A N GLU 165.A O no hydrogen 3.056 N/A TYR 169.A N GLU 165.A O no hydrogen 2.822 N/A GLN 171.A N TYR 168.A O no hydrogen 3.079 N/A GLN 171.A NE2 PRO 19.A O no hydrogen 2.973 N/A GLN 171.A NE2 SER 20.A O no hydrogen 3.611 N/A TYR 172.A N TYR 168.A O no hydrogen 2.900 N/A TYR 172.A OH SER 20.A O no hydrogen 2.644 N/A LEU 173.A N TYR 169.A O no hydrogen 2.804 N/A GLY 175.A N TYR 172.A O no hydrogen 2.863 N/A LYS 176.A N ASN 174.A O no hydrogen 2.825 N/A LYS 176.A NZ LEU 123.A O no hydrogen 3.277 N/A ALA 178.A N GLY 175.A O no hydrogen 3.293 N/A TYR 179.A OH ASP 162.A O no hydrogen 2.865 N/A VAL 180.A N LYS 176.A O no hydrogen 3.025 N/A ASP 181.A N ALA 177.A O no hydrogen 2.940 N/A ASN 182.A N ALA 178.A O no hydrogen 2.918 N/A ASN 182.A ND2 TYR 172.A OH no hydrogen 2.996 N/A ILE 183.A N TYR 179.A O no hydrogen 2.973 N/A ILE 183.A N VAL 180.A O no hydrogen 3.321 N/A LYS 185.A N ASN 182.A O no hydrogen 3.171 N/A VAL 186.A N ILE 183.A O no hydrogen 2.966 N/A ILE 187.A N TRP 184.A O no hydrogen 3.451 N/A ASN 188.A N ASN 83.A O no hydrogen 2.926 N/A TRP 189.A N ASP 91.A O no hydrogen 2.784 N/A THR 191.A N ASN 188.A OD1 no hydrogen 3.018 N/A THR 191.A OG1 GLU 82.A O no hydrogen 2.724 N/A ALA 192.A N ASN 188.A O no hydrogen 3.099 N/A GLU 193.A N TRP 189.A O no hydrogen 2.850 N/A GLN 194.A N LYS 190.A O no hydrogen 3.093 N/A ARG 195.A N THR 191.A O no hydrogen 3.034 N/A ARG 195.A NH1 ASN 83.A OD1 no hydrogen 2.880 N/A ARG 195.A NH1 VAL 158.A O no hydrogen 3.024 N/A ARG 195.A NH2 LEU 79.A O no hydrogen 2.827 N/A ARG 195.A NH2 GLU 82.A OE1 no hydrogen 2.839 N/A PHE 196.A N ALA 192.A O no hydrogen 2.868 N/A LYS 197.A N GLU 193.A O no hydrogen 3.038 N/A GLY 198.A N GLN 194.A O no hydrogen 3.124 N/A GLY 198.A N ARG 195.A O no hydrogen 3.241 N/A ARG 200.A NH1 VAL 152.A O no hydrogen 2.887 N/A ASP 202.A N ASP 199.A OD1 no hydrogen 2.827 N/A ALA 203.A N ASP 199.A O no hydrogen 3.184 N/A PHE 204.A N ARG 200.A O no hydrogen 3.280 N/A PHE 204.A N GLU 201.A O no hydrogen 3.097 N/A LYS 205.A N ASP 202.A O no hydrogen 3.295 N/A LEU 207.A N PHE 204.A O no hydrogen 3.141 N/A LYS 208.A N LYS 205.A O no hydrogen 2.852 N/A